Adsorption of organic molecules on carbon surfaces: Experimental data and molecular dynamics simulation considering multiple protonation states
R. Wagner, Saientan Bag, Tatjana Trunzer, Paula Fraga‐García, Wolfgang Wenzel, Sonja Berensmeier, Matthias Franzreb
Topics & Concepts
AdsorptionProtonationChemistryIntermolecular forceDissociation (chemistry)MoleculeMolecular dynamicsChemical physicsCarbon fibersComputational chemistryOrganic chemistryMaterials scienceIonComposite materialComposite numberNanopore and Nanochannel Transport StudiesGraphene research and applications